SCHEMBL4092382

SCHEMBL4092382

O=C1C(=O)N([PbH])c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 11/20 0.57
TTR P02766 1/20 0.57
BCHE P06276 4/20 0.55
TGM2 P21980 2/20 0.55
ALDH1A1 P00352 5/20 0.53
CES2 O00748 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH3A1 P30838 4/20 0.48
ALDH2 P05091 3/20 0.48
CHRM1 P11229 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PARK7 Q99497 1/20 0.46
ACHE P22303 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29711265 0.74 CES1 (0.59) CES1TTRBCHETGM2ALDH1A1
SCHEMBL2259762 0.74 CES1 (0.59) CES1TTRBCHETGM2ALDH1A1
SCHEMBL31492057 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL3845335 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL31634050 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL17818354 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL126628 0.73 CES1 (1.00) CES1TTRBCHETGM2ALDH1A1
SCHEMBL18930798 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL995401 0.73 CES1 (1.00) CES1TTRBCHETGM2ALDH1A1
SCHEMBL1749687 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106167461-A A kind of new type water-solubility Isatine derivatives and preparation method and application 天津科技大学 2016-11-30 CN disclosed
CN-105175308-A Isatin derivative 3-(4-nitrophenylimino)indol-2-one, preparation method thereof, and application thereof in preparation of antidepressants UNIV ZHEJIANG OCEAN 2015-12-23 CN disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ CES1 252/4885TTR 3503/4885BCHE 184/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS CES1 174/4885TTR 3659/4885BCHE 121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.